TDR Targets

Basic information

Technical information

TDR Targets ID: 1149157
Name: ethyl 1-[2-chloro-3-(phenoxy)propyl]-4-(cyclo hexylamino)pyrazolo[4,5-e]pyridine-5-carboxyl ate
MW: 456.965 | Formula: C24H29ClN4O3
H donors: 1 H acceptors: 3 LogP: 5.66 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cnc2c(c1NC1CCCCC1)cnn2CC(COc1ccccc1)Cl
InChi: 1S/C24H29ClN4O3/c1-2-31-24(30)21-13-26-23-20(22(21)28-18-9-5-3-6-10-18)14-27-29(23)15-17(25)16-32-19-11-7-4-8-12-19/h4,7-8,11-14,17-18H,2-3,5-6,9-10,15-16H2,1H3,(H,26,28)
InChiKey: MBFLNNJLGAYLME-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

1-[2-chloro-3-(phenoxy)propyl]-4-(cyclohexylamino)-5-pyrazolo[4,5-e]pyridinecarboxylic acid ethyl ester
1-[2-chloro-3-(phenoxy)propyl]-4-(cyclohexylamino)pyrazolo[4,5-e]pyridine-5-carboxylic acid ethyl ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	CYP4Cod1	0.0036	0.0081	0.0378
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0066	0.036	0.1689
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0262	0.2134	1
Giardia lamblia	Pyruvate kinase	0.0037	0.0097	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.021	0.1661	0.7782
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1317	0.599
Loa Loa (eye worm)	hypothetical protein	0.021	0.1661	0.7782
Leishmania major	cytochrome p450-like protein	0.0036	0.0081	0.8282
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.0244	0.1037
Trypanosoma brucei	beta lactamase	0.0543	0.4674	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.2134	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0066	0.036	0.1689
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0543	0.4674	0.4674
Onchocerca volvulus		0.0047	0.0185	0.0716
Trypanosoma cruzi	cytochrome P450, putative	0.0036	0.0081	0.8282
Echinococcus granulosus	geminin	0.0166	0.1265	0.8798
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0037	0.0097	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0066	0.036	0.2508
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0185	0.0865
Brugia malayi	Cytochrome P450 family protein	0.0108	0.0738	0.346
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0185	0.0786
Schistosoma mansoni	pyruvate kinase	0.0037	0.0097	0.0414
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0543	0.4674	1
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0097	0.0677
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1317	0.599
Brugia malayi	latrophilin 2 splice variant baaae	0.0144	0.1059	0.4962
Echinococcus multilocularis	pyruvate kinase	0.0037	0.0097	0.0677
Schistosoma mansoni	hypothetical protein	0.0144	0.1059	0.4509
Loa Loa (eye worm)	cytochrome P450 family protein	0.0108	0.0738	0.346
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0037	0.0097	0.0208
Mycobacterium ulcerans	lipoprotein LpqF	0.0543	0.4674	0.4674
Trypanosoma brucei	pyruvate kinase 1	0.0037	0.0097	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1059	0.4962
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.0244	0.1695
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1317	0.599
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0262	0.2134	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0037	0.0097	0.0097
Schistosoma mansoni	pyruvate kinase	0.0037	0.0097	0.0414
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0185	0.0786
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.021	0.1661	0.7782
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0132	0.0956	0.6651
Leishmania major	pyruvate kinase	0.0037	0.0097	1
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0185	0.0865
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0185	0.1437	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.036	0.1689
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0185	0.0716
Echinococcus granulosus	pyruvate kinase	0.0037	0.0097	0.0677
Schistosoma mansoni	hypothetical protein	0.0166	0.1265	0.5385
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0037	0.0097	0.0456
Echinococcus multilocularis	pyruvate kinase	0.003	0.0026	0.0181
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0185	0.1285
Echinococcus granulosus	GPCR family 2	0.0066	0.036	0.2508
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0066	0.036	0.2508
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0097	0.0456
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1317	0.599
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.2134	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.021	0.1661	0.7782
Brugia malayi	Latrophilin receptor protein 2	0.0066	0.036	0.1689
Chlamydia trachomatis	pyruvate kinase	0.0037	0.0097	0.5
Echinococcus multilocularis	GPCR, family 2	0.0066	0.036	0.2508
Mycobacterium ulcerans	pyruvate kinase	0.0037	0.0097	0.0097
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.0244	0.1695
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.2134	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0066	0.036	0.2508
Plasmodium vivax	pyruvate kinase, putative	0.0037	0.0097	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.082	0.3841
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0244	0.1142
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.0244	0.1695
Schistosoma mansoni	hypothetical protein	0.0286	0.2349	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0037	0.0097	1
Trypanosoma cruzi	cytochrome P450, putative	0.0036	0.0081	0.8282
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.1131	1	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0132	0.0956	0.6651
Trypanosoma brucei	cytochrome P450, putative	0.0036	0.0081	0.0172
Schistosoma mansoni	hypothetical protein	0.0066	0.036	0.1535
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1317	0.599
Brugia malayi	mbt repeat family protein	0.0047	0.0185	0.0865
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1401	0.6402
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.1401	0.6402
Brugia malayi	MH2 domain containing protein	0.0117	0.082	0.3841
Schistosoma mansoni	lipoxygenase	0.0132	0.0956	0.4071
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.0244	0.1142
Schistosoma mansoni	hypothetical protein	0.0066	0.036	0.1535
Echinococcus granulosus	pyruvate kinase	0.0037	0.0097	0.0677
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.0244	0.1695
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0081	0.0378
Schistosoma mansoni	lipoxygenase	0.0092	0.0596	0.2537
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0185	0.1437	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0172	0.1317	1
Loa Loa (eye worm)	MBCTL1	0.0054	0.0244	0.1142
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.2134	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0066	0.036	0.2508
Plasmodium falciparum	pyruvate kinase	0.0037	0.0097	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.082	0.3841
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0185	0.1285
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0185	0.0786
Schistosoma mansoni	hypothetical protein	0.0066	0.036	0.1535
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0097	0.0456
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0081	0.0378
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0036	0.0081	0.0081
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0037	0.0097	0.0456
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0081	0.0378
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1317	0.599
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0037	0.0097	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.2134	1
Leishmania major	pyruvate kinase	0.0037	0.0097	1
Trypanosoma brucei	pyruvate kinase 1, putative	0.0037	0.0097	0.0208
Brugia malayi	mbt repeat family protein	0.0047	0.0185	0.0865
Schistosoma mansoni	hypothetical protein	0.0066	0.036	0.1535
Echinococcus multilocularis	geminin	0.0166	0.1265	0.8798
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0185	0.1285
Schistosoma mansoni	hypothetical protein	0.0166	0.1265	0.5385
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0185	0.1285
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0081	0.0378
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0097	0.0456
Loa Loa (eye worm)	pyruvate kinase	0.0037	0.0097	0.0456
Trichomonas vaginalis	glucosylceramidase, putative	0.0262	0.2134	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0172	0.1317	0.599

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1190092

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1149157